SCHEMBL7553283

SCHEMBL7553283

NC(=O)CCCC(c1ccccc1)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PREP P48147 2/20 0.46
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
PKM P14618 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SLC6A3 Q01959 3/20 0.40
DRD3 P35462 2/20 0.40
CYP2C19 P33261 2/20 0.40
LMNA P02545 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
EDNRB P24530 1/20 0.40
MAPK1 P28482 1/20 0.40
MC4R P32245 1/20 0.40
MC3R P41968 1/20 0.40
DRD2 P14416 1/20 0.40
EPHX1 P07099 2/20 0.38
ALOX5 P09917 1/20 0.38
GRM2 Q14416 2/20 0.37
GRM3 Q14832 2/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18248497 0.94 PREP (0.42) PREPCYP1A2CYP2D6PKMSMN1; SMN2
SCHEMBL7514729 0.92 PREP (0.43) PREPCYP1A2CYP2D6PKMSMN1; SMN2
SCHEMBL9181327 0.88 PREP (0.46) PREPCYP1A2CYP2D6SMN1; SMN2SLC6A3
SCHEMBL18248556 0.86 SOAT1 (0.42) PREPCYP1A2CYP2C19MEN1KMT2A
SCHEMBL18248647 0.86 SOAT1 (0.42) PREPCYP1A2CYP2C19MEN1KMT2A
SCHEMBL18248522 0.84 KDM4E (0.47) CYP1A2CYP2C19LMNAMEN1KMT2A
SCHEMBL18248621 0.84 CNR1 (0.44) PREPCYP1A2CYP2C19MEN1KMT2A
SCHEMBL4551819 0.81 PREP (0.44) PREPCYP1A2CYP2D6CYP2C19MAPK1
SCHEMBL4778263 0.81 CYP2C19 (0.47) PREPCYP1A2CYP2D6PKMSMN1; SMN2
Hydrochloric Acid SCHEMBL6557844 0.79 CYP2C19 (0.46) PREPCYP1A2CYP2D6PKMSMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1073633-A2 SUBSTITUTED BETA-AMINO ACID INHIBITORS OF METHIONINE AMINOPEPTIDASE-2 ABBOTT LABORATORIES (US) 2001-02-07 EP claimed
WO-1999057098-A2 SUBSTITUTED BETA-AMINO ACID INHIBITORS OF METHIONINE AMINOPEPTIDASE-2 ABBOTT LABORATORIES (US) 1999-11-11 WO claimed